3-Chloro-4-(bromomethyl)-2(5H)-furanone
TL;DR: 3-Chloro-4-(bromomethyl)-2(5H)-furanone (CAS 199536-65-7) is a chemical compound with molecular formula C5H4BrClO2 and molecular weight 209.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-4-chloro-2H-furan-5-one
Also Known As: 3-Chloro-4-(bromomethyl)-2(5H)-furanone, 3-(bromomethyl)-4-chloro-2H-furan-5-one, 3-(Bromomethyl)-4-chloro-5(2H)-furanone, 4-(Bromomethyl)-3-chlorofuran-2(5H)-one, 4-(bromomethyl)-3-chloro-2,5-dihydrofuran-2-one
| Molecular Formula | C5H4BrClO2 |
|---|---|
| Molecular Weight | 209.91 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.90833 |
| Heavy Atoms | 9 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 199536-65-7 |
|---|---|
| SMILES | C1C(=C(C(=O)O1)Cl)CBr |
| InChIKey | AXFXZYOIFHVDGB-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-(bromomethyl)-2(5H)-furanone (CAS 199536-65-7), with molecular formula C5H4BrClO2 and molecular weight 209.91 g/mol. IUPAC: 3-(bromomethyl)-4-chloro-2H-furan-5-one.
Chemical Property Profile of 3-Chloro-4-(bromomethyl)-2(5H)-furanone
Property Insights of 3-Chloro-4-(bromomethyl)-2(5H)-furanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(bromomethyl)-2(5H)-furanone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Chloro-4-(bromomethyl)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(bromomethyl)-2(5H)-furanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-(bromomethyl)-2(5H)-furanone?
The CAS number of 3-Chloro-4-(bromomethyl)-2(5H)-furanone is 199536-65-7.
What is the molecular formula of 3-Chloro-4-(bromomethyl)-2(5H)-furanone?
The molecular formula of 3-Chloro-4-(bromomethyl)-2(5H)-furanone is C5H4BrClO2.
What is the molecular weight of 3-Chloro-4-(bromomethyl)-2(5H)-furanone?
The molecular weight of 3-Chloro-4-(bromomethyl)-2(5H)-furanone is 209.91 g/mol.
Where can I buy 3-Chloro-4-(bromomethyl)-2(5H)-furanone?
You can request a quote for 3-Chloro-4-(bromomethyl)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(bromomethyl)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(bromomethyl)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.